N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine

C18H26N4O — CID 95758654

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
SMILESCCN1CCO[C@@H](CNCc2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C18H26N4O/c1-2-21-8-9-23-18(15-21)12-19-10-17-11-20-22(14-17)13-16-6-4-3-5-7-16/h3-7,11,14,18-19H,2,8-10,12-13,15H2,1H3/t18-/m0/s1
InChIKeySLMWNSAMOVVMFH-SFHVURJKSA-N
MW314.43 g/mol
LogP1.74
Rot. Bonds7

About N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine

N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine (PubChem CID 95758654) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
PubChem CID95758654
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
SMILESCCN1CCO[C@@H](CNCc2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C18H26N4O/c1-2-21-8-9-23-18(15-21)12-19-10-17-11-20-22(14-17)13-16-6-4-3-5-7-16/h3-7,11,14,18-19H,2,8-10,12-13,15H2,1H3/t18-/m0/s1
InChIKeySLMWNSAMOVVMFH-SFHVURJKSA-N
XLogP1.74
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylmorpholin-2-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 174500358
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine
CID 114399789
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 78942793
1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
1-[(2R)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328397
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 113235638
3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 56810364
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine (CID 95758654) is N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine is CCN1CCO[C@@H](CNCc2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine?
The InChIKey is SLMWNSAMOVVMFH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-21-8-9-23-18(15-21)12-19-10-17-11-20-22(14-17)13-16-6-4-3-5-7-16/h3-7,11,14,18-19H,2,8-10,12-13,15H2,1H3/t18-/m0/s1.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine?
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine has a molecular weight of 314.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95758654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).